Complexes after comparative docking

Receptor: model based on 3S9S chain:A
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
M0T_A_3 0.000 11.2 0.74 70.3 1-(3,4-DICHLOROBENZYL)-2-METHYL-N-[(1R)-1-PHENYLPROPYL]-1H-BENZIMIDAZOLE-5-CARBOXAMIDE 3S9S Raw